Geometry & MOs

Info

ID:	136376
PubChem CID:	52030870
Reduced:	ClO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	429.101082
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	4.54
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-3-(4,5-dimethyl-6-oxo-2-phenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N(C1=O)CCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C

DOS

IR

Vibrations